journal article·2026-03-11Open access

Smart catalytic sites meet future industry: What’s next?

Kun Zhao, Lanzhi Mu, Bingyuan Zeng, Mengcheng Zhan, Limei Liu, Jie Zhang, Qiuyue Ma, Liangcan He, Dong Fu

NPG Asia Materials· Volume 18· Issue 1

Abstract

Abstract Based on the understanding of traditional catalysts, the dynamic evolution of the catalytic process has been deeply reviewed, leading to a new perspective of “ s mart catalytic site ”. It is worth noting that the similarity between the dynamic change of catalytic sites and the natural evolution law was revealed. The “ smartly catalytic coupling system ”, owing to the environmental intelligence-response feature, was innovatively proposed. Meanwhile, this paper points out that the absolute intelligent catalysis is absent; however, constructing an intelligent catalytic system may require the surface catalytic sites supported on a self-optimizing substrate, variable reaction conditions, and an AI-assisted advanced reaction platform. This dynamic smart catalytic system is expected to automatically and rapidly adjust to certain human demands, precisely and efficiently meeting the future development trends. Besides, completely understanding the inter-crossed relationship among the micro-catalytic site evolution process, natural species macro-adaptability, and the dialectic involving the dynamic unity of opposites principle, is significant for scientific researchers’ worldview development.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Machine Learning in Materials Science · Nanomaterials for catalytic reactions · Micro and Nano Robotics

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (24)

Show source-provided references
1. Berzelius, J. J. Årsberättelse om Framstegen i Fysik och Kemi (Royal Swedish Academy of Sciences: Stockholm, Sweden, 1835).
2. International Union of Pure and Applied Chemistry (IUPAC). Catalyst (IUPAC, 2019).
3. Langmuir, I. The adsorption of gases on plane surface of glass, mica and platinum. J. Am. Chem. Soc. 40, 1361–1403 (1918).10.1021/ja02242a004 ↗
4. Taylor, H. S. A theory of the catalytic surface. Proc. R. Soc. Lond. A 108, 105–111 (1925).10.1098/rspa.1925.0061 ↗
5. Dai, P. et al. Spin state modulation via magnetic fields in fe single atom catalysts for high-performance aqueous zinc-sulfur batteries. ACS Nano 19, 21083–21094 (2025).10.1021/acsnano.5c05185 ↗
6. Wang, Y. et al. Acid-engineering combined heterojunction formation for high efficient piezo-catalytic FeCo-LDH@ZnO. Nano Energy 144, 111333 (2025).10.1016/j.nanoen.2025.111333 ↗
7. Bao, J. et al. Electronic structure-engineered proton depletion interfaces on ternary RuO₂ for ultra-stable kilowatt electrocatalysis. Angew. Chem. Int. Ed. 64, e202515362 (2025).10.1002/anie.202515362 ↗
8. Pang, W. et al. Oxygen atom coordinative position inducing catalytic sites structure reconstruction for enhanced photocatalytic H2 evolution. Adv. Funct. Mater. 34, 2400466 (2024).10.1002/adfm.202400466 ↗
9. Kalantar-Zadeh, K., Daeneke, T. & Tang, J. The atomic intelligence of liquid metals. Science 385, 372–373 (2024).10.1126/science.adn5871 ↗
10. Boehr, D. D., Nussinov, R. & Wright, P. E. The role of dynamic conformational ensembles in biomolecular recognition. Nat. Chem. Biol. 5, 789–796 (2009).10.1038/nchembio.232 ↗
11. Bondos, S. E., Dunker, A. K. & Uversky, V. N. Intrinsically disordered proteins play diverse roles in cell signaling. Cell Commun. Signal. 20, 20 (2022).10.1186/s12964-022-00821-7 ↗
12. Hilser, V. J. & Thompson, E. B. Intrinsic disorder as a mechanism to optimize allosteric coupling in proteins. Proc. Natl. Acad. Sci. USA. 104, 8311–8315 (2007).10.1073/pnas.0700329104 ↗
13. Melchionna, M. & Fornasiero, P. On the tracks to “Smart” Single-Atom Catalysts. J. Am. Chem. Soc. 147, 2275–2290 (2025).10.1021/jacs.4c15803 ↗
14. Henzler-Wildman, K. & Kern, D. Dynamic personalities of proteins. Nature 450, 964–972 (2007).10.1038/nature06522 ↗
15. Zou, H. et al. Steering acidic oxygen reduction selectivity of single-atom catalysts through the second sphere effect. Nat. Commun. 15, 10818 (2024).10.1038/s41467-024-55116-x ↗
16. Swanson, K. et al. Generative ai for designing and validating easily synthesizable and structurally novel antibiotics. Nat. Mach. Intell. 6, 338–353 (2024).10.1038/s42256-024-00809-7 ↗
17. Buller, R. et al. From nature to industry: harnessing enzymes for biocatalysis. Science 382, eadh8615 (2023).10.1126/science.adh8615 ↗
18. Hong, H. et al. A self-regenerating Pt/Ge-MFI zeolite for propane dehydrogenation with high endurance. Science 388, 497–502 (2025).10.1126/science.adu6907 ↗
19. Xie, Z. et al. High-porosity, layered iridium oxide as an efficient, durable anode catalyst for water splitting. CCS Chem 7, 216–228 (2025).10.31635/ccschem.024.202303586 ↗
20. Zhang, Y. et al. Advances in metastable phase catalysis with thermodynamic-kinetic adaptability. Mater. Today 101, 100933 (2025).
21. Yan, D. et al. Engineering COFs as smart triggers for rapid capture and controlled release of singlet oxygen. J. Mater. Chem. A 9, 27434–27441 (2021).10.1039/D1TA07810K ↗
22. Yan, D., Wang, Z. & Zhang, Z. Stimuli-responsive crystalline smart materials: from rational design and fabrication to applications. Acc. Chem. Res. 55, 1047–1058 (2022).10.1021/acs.accounts.2c00027 ↗
23. Chen, H., Na, M. & Zou, X. Iridium-based anode catalysts for water electrolysis: from fundamentals to industrial applications. CCS Chem. 7, 202506099 (2025).10.31635/ccschem.025.202506099 ↗
24. Liu, J. et al. Self-healing and shape memory hypercrosslinked metal-organic polyhedra polymers via coordination post-assembly. Angew. Chem. Int. Ed. 61, e202212253 (2022).10.1002/anie.202212253 ↗